CID 35737

3-(cyclohexylamino)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCC(CC1)NCCCO
InChI
InChI=1S/C9H19NO/c11-8-4-7-10-9-5-2-1-3-6-9/h9-11H,1-8H2
InChIKey
DFOAUWHTDKZVPW-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

157.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.0
[M+Na]+ 180.135888 139.9
[M-H]- 156.139394 137.9
[M+NH4]+ 175.180493 156.6
[M+K]+ 196.109828 138.2
[M+H-H2O]+ 140.143930 131.1
[M+HCOO]- 202.144871 156.9
[M+CH3COO]- 216.160521 176.6
[M+Na-2H]- 178.121336 141.9
[M]+ 157.14612142 131.3
[M]- 157.14721858 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe